SCHEMBL29630415

SCHEMBL29630415

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ ACE P12821 2/20 0.50
▸ SLC6A2 P23975 1/20 0.48
▸ TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30128526 0.95 ACE (0.55) OPRM1OPRD1ACESLC6A2TSHR
SCHEMBL29630391 0.92 ACE (0.55) OPRM1OPRD1ACETSHR
SCHEMBL30358542 0.91 ACE (0.58) OPRM1ACETSHR
SCHEMBL29630448 0.91 NMUR2 (0.51) ACESLC6A2
SCHEMBL29630550 0.90 OPRM1 (0.54) OPRM1OPRD1ACESLC6A2
SCHEMBL29630548 0.89 SLC6A2 (0.53) OPRM1OPRD1ACESLC6A2
SCHEMBL30785408 0.87 ACE (0.59) ACESLC6A2
SCHEMBL30165330 0.87 ACE (0.57) ACETSHR
SCHEMBL29592705 0.87 OPRM1 (0.58) OPRM1OPRD1SLC6A2
SCHEMBL29591216 0.86 SLC6A2 (0.63) OPRM1OPRD1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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